U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O16
Molecular Weight 610.5175
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHODIOSIN

SMILES

C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2O)C4=CC=C(O)C=C4)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]1O

InChI

InChIKey=WXBBQBYCUTXTJQ-ULMXTSOFSA-N
InChI=1S/C27H30O16/c1-8-15(31)25(43-26-21(37)19(35)16(32)13(7-28)41-26)22(38)27(39-8)40-12-6-11(30)14-18(34)20(36)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19,21-22,25-33,35-38H,7H2,1H3/t8-,13+,15-,16+,19-,21+,22+,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
RHODIOSIN
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-DEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-3,5,8-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76959646
Created by admin on Sat Dec 16 10:56:26 GMT 2023 , Edited by admin on Sat Dec 16 10:56:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID801318608
Created by admin on Sat Dec 16 10:56:26 GMT 2023 , Edited by admin on Sat Dec 16 10:56:26 GMT 2023
PRIMARY
CAS
86831-54-1
Created by admin on Sat Dec 16 10:56:26 GMT 2023 , Edited by admin on Sat Dec 16 10:56:26 GMT 2023
PRIMARY
FDA UNII
BFG0D2RH6Z
Created by admin on Sat Dec 16 10:56:26 GMT 2023 , Edited by admin on Sat Dec 16 10:56:26 GMT 2023
PRIMARY